Evan R. Antoniuk

According to our database, Evan R. Antoniuk authored at least 5 papers between 2022 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models.

Evan R. Antoniuk, Shehtab Zaman, Tal Ben-Nun, Peggy Li, James Diffenderfer, Busra Demirci, Obadiah Smolenski, Tim Hsu, Anna M. Hiszpanski, Kenneth Chiu, Bhavya Kailkhura, Brian Van Essen

CoRR, May, 2025

EAIRA: Establishing a Methodology for Evaluating AI Models as Scientific Research Assistants.

Franck Cappello, Sandeep Madireddy, Robert Underwood, Neil Getty, Nicholas Lee-Ping Chia, Nesar Ramachandra, Josh Nguyen, Murat Keçeli, Tanwi Mallick, Zilinghan Li, Marieme Ngom, Chenhui Zhang, Angel Yanguas-Gil, Evan R. Antoniuk, Bhavya Kailkhura, Minyang Tian, Yufeng Du, Yuan-Sen Ting, Azton Wells, Bogdan Nicolae, Avinash Maurya, M. Mustafa Rafique, Eliu A. Huerta, Bo Li, Ian T. Foster, Rick Stevens

CoRR, February, 2025

Active Learning Enables Extrapolation in Molecular Generative Models.

Evan R. Antoniuk, Peggy Li, Nathan Keilbart, Stephen Weitzner, Bhavya Kailkhura, Anna M. Hiszpanski

CoRR, January, 2025

BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models.

Evan R. Antoniuk, Shehtab Zaman, Tal Ben-Nun, Peggy Li, James Diffenderfer, Büsra Sahin, Obadiah Smolenski, Everett Grethel, Tim Hsu, Anna M. Hiszpanski, Kenneth Chiu, Bhavya Kailkhura, Brian Van Essen

Proceedings of the Advances in Neural Information Processing Systems 38: Annual Conference on Neural Information Processing Systems 2025, 2025

2022

Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions.

Evan R. Antoniuk, Peggy Li, Bhavya Kailkhura, Anna M. Hiszpanski

J. Chem. Inf. Model., 2022